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Ligand · AQ2

AQ2 · N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide

AQ2, N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide (C21 H25 N3 O4 S2, 447.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
AQ2
Formula
C21 H25 N3 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

AQ2 in 2 structures; the first of them:

  • 4AWI · Human Jnk1alpha kinase with 4-phenyl-7-azaindole IKK2 inhibitor. · AQ2 A1365 · binds ILE32, GLY33, SER34, GLY35, GLN37, GLY38, VAL40, ALA53 and 15 more
  • 4AWI · Human JNK1ALPHA kinase with 4-phenyl-7-azaindole IKK2 inhibitor. · AQ2 A1365 · binds ILE32, GLY33, SER34, GLY35, GLN37, GLY38, VAL40, ALA53 and 15 more

Residues it binds most

GLY 2, ALA 2, ASN 2, GLN 2, ILE 2, LEU 2, LYS 2, MET 2, SER 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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